HRID1224752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID45790052

7-Bromo-2-chloroquinazoline

C8H4BrClN2

HCID55137112

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(NCCCN1CCCC1)c1ccc(Nc2ncc3ccc(Br)cc3n2)cc1

HCID67101658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce2614710f48455a9803d7f223e3f24c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([Cl:12])[n:9][c:10]2[cH:11]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH:39]([OH:40])([CH3:41])[CH3:42].[ClH:32].[NH2:13][c:14]1[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[NH:23][CH2:24][CH2:25][CH2:26][N:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[cH:18][cH:19]1.[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([NH:13][c:14]3[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[NH:23][CH2:24][CH2:25][CH2:26][N:27]4[CH2:28][CH2:29][CH2:30][CH2:31]4)[cH:18][cH:19]3)[n:9][c:10]2[cH:11]1